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Maltitol (9TMS)

 

Replica Mass Spectra of Maltitol (9TMS)

replicalib entry datedetectionmethodspecies
111 September 2005  M[FAME4090]Standard
201 July 2001 MS-QuadM[2]Standard
311 September 2005  M[FAME4090]Standard
930 March 2011  Fiehn_GC_2010 
401 October 2001 MS-TOFM[EIGTMS]Standard
525 January 2005 MS-TOFM[MOR] 
626 November 2004  M[FAME4090]Standard
1005 June 2013  MRI_2013 
819 July 2007 MS-TOFVAR5Reference Substance
9 spectrum(a)
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Spectrum Details

analyteMaltitol (9TMS)
analyte InChIInChI=1S/C39H96O11Si9/c1-51(2,3)40-28-31-35(47-56(16,17)18)37(49-58(22,23)24)38(50-59(25,26)27)39(43-31)44-34(32(45-54(10,11)12)29-41-52(4,5)6)36(48-57(19,20)21)33(46-55(13,14)15)30-42-53(7,8)9/h31-39H,28-30H2,1-27H3/t31-,32-,33+,34-,35-,36-,37+,38-,39-/m1/s1
analyte mass993.94
chromatogram4137GX12
citation 
authorsLiebig F, Erban A, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date01 February 2005
metabolite roleMETB
retention time (sec)1,708.38
retention index (VAR5 method, n-alkanes C10–C36)2.825,89 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality282 intensities
minimal m/z70
maximal m/z568
download JCAMP DXSpectrumJcampDx.ashx?id=41d146c9-313a-4c61-858b-c579ec52a74a
download MSPSpectrumMsp.ashx?id=41d146c9-313a-4c61-858b-c579ec52a74a

GC-Method

nameM[6]
citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:water (4:1; v/v); 15min70°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningmethanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning 
RIALKANEC12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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